10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide

C26H20N4O3S — CID 164617889

IUPAC10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccccn4)cc32)cc1
InChIInChI=1S/C26H20N4O3S/c31-25(28-24-7-3-4-14-27-24)19-12-13-23-21(15-19)30(20-5-1-2-6-22(20)34-23)16-17-8-10-18(11-9-17)26(32)29-33/h1-15,33H,16H2,(H,29,32)(H,27,28,31)
InChIKeyXIGDWHNBRJVSHI-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.26
Rot. Bonds5

About 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide

10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide (PubChem CID 164617889) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide.

Molecular Properties

Compound Name10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide
PubChem CID164617889
Molecular FormulaC26H20N4O3S
Molecular Weight468.54 g/mol
Exact Mass468.13
IUPAC Name10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccccn4)cc32)cc1
InChIInChI=1S/C26H20N4O3S/c31-25(28-24-7-3-4-14-27-24)19-12-13-23-21(15-19)30(20-5-1-2-6-22(20)34-23)16-17-8-10-18(11-9-17)26(32)29-33/h1-15,33H,16H2,(H,29,32)(H,27,28,31)
InChIKeyXIGDWHNBRJVSHI-UHFFFAOYSA-N
XLogP5.26
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide?
The IUPAC name of 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide (CID 164617889) is 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide.
What is the SMILES notation for 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide?
The canonical SMILES for 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccccn4)cc32)cc1.
What is the InChIKey of 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide?
The InChIKey is XIGDWHNBRJVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c31-25(28-24-7-3-4-14-27-24)19-12-13-23-21(15-19)30(20-5-1-2-6-22(20)34-23)16-17-8-10-18(11-9-17)26(32)29-33/h1-15,33H,16H2,(H,29,32)(H,27,28,31).
What are the key properties of 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide?
10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-pyridin-2-ylphenothiazine-2-carboxamide is sourced from PubChem (CID 164617889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).